2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate

C12H14F2O3 — CID 158199846

IUPAC2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1C=CC=CC1(F)F
InChIInChI=1S/C12H14F2O3/c1-9(2)11(15)17-8-7-16-10-5-3-4-6-12(10,13)14/h3-6,10H,1,7-8H2,2H3
InChIKeyTUDHMVXIWDUMMP-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.25
Rot. Bonds5

About 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate

2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate (PubChem CID 158199846) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate
PubChem CID158199846
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1C=CC=CC1(F)F
InChIInChI=1S/C12H14F2O3/c1-9(2)11(15)17-8-7-16-10-5-3-4-6-12(10,13)14/h3-6,10H,1,7-8H2,2H3
InChIKeyTUDHMVXIWDUMMP-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
12-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)dodecyl 2-methylprop-2-enoate
CID 151912614
2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate
CID 66631874
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-(2-methylprop-2-enoyloxy)ethoxy]acetic acid
CID 23168599
(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl 2-methylprop-2-enoate
CID 141487824
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate (CID 158199846) is 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC1C=CC=CC1(F)F.
What is the InChIKey of 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is TUDHMVXIWDUMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-9(2)11(15)17-8-7-16-10-5-3-4-6-12(10,13)14/h3-6,10H,1,7-8H2,2H3.
What are the key properties of 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate?
2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 244.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158199846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).